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2-keto-1-phenacyl-cycloheptanecarboxylic acid methyl ester
SpectraBase Compound ID LM3c9c2GDo4
InChI InChI=1S/C17H20O4/c1-21-16(20)17(11-7-3-6-10-15(17)19)12-14(18)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey CQHSDXMNKWPZJJ-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bTVdNAgp51
Name 2-keto-1-phenacyl-cycloheptanecarboxylic acid methyl ester
Alternate Name(s) 2-Oxo-1-phenacyl-1-cycloheptanecarboxylic acid methyl ester Methyl 2-oxidanylidene-1-phenacyl-cycloheptane-1-carboxylate Methyl 2-oxo-1-phenacyl-cycloheptanecarboxylate Methyl 2-oxo-1-phenacylcycloheptane-1-carboxylate
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Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-21-16(20)17(11-7-3-6-10-15(17)19)12-14(18)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey CQHSDXMNKWPZJJ-UHFFFAOYSA-N
Molecular Weight 288.343 g/mol
SMILES C1(CC(=O)c2ccccc2)(C(=O)OC)C(=O)CCCCC1
SPLASH splash10-0a4i-1920000000-d54105cf6e1088ed36c5
Source of Spectrum H-2005-5035-2
Wiley ID 1588086